0 B8R0.8 C=C(C)C(=O)NCCO A51143 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 C=C(C)C(=O)OCCN 77919 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 C=C(C)C(=O)OCCO D70640 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.8 CC(C)C(=O)NCCN D86303 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 CCCCC(=O)C(C)C D91376 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.8 CCC\C=C(/C)C(=O)[O-] D87851 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.8 CSCCC(O)C(=O)[O-] A51087 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 C=CC(=O)NCCN S10694 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.3 C=CC(=O)NCCO D78367 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.3 C=CC(=O)OCCO D78194 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.3 CCCCC(=O)CC D90783 [1,0,0,0,0,0|0,0,1]=2 31 B7R0.3 CCCCC(=O)NN 74164 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.3 CCCOC(=O)OC D83836 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.3 CC\C=C\C(=O)OC S12000 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.3 CNCCC(=O)NC 30723 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.3 CNCCC(=O)OC 32388 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.3 COC(=O)CCC#N 82641 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.3 COC(=O)CCC=O 63110 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.3 COC(=O)CCCBr S11981 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.3 COC(=O)CCCCl 28856 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.3 COC(=O)CCCN 64233 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.4 C=CCCOC(C)=O 74074 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.4 CC(=O)CCCC#N D91224 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.4 CC(=O)CCCCCl D89394 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.4 CC(=O)OCCCCl 22019 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 CC(=O)SCCCO D86667 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 CCCCCC(=O)[O-] D82015 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.4 CCCCCC(N)=O D89187 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.4 CCCCC[C@H](C)N D90921 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.4 CCCCC[C@H](C)O D83253 [1,0,0,0,0,0|0,0,3]=4 50 B7R0.4 CCCCNC(N)=O D88864 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 CCCCNC(N)=S T70321 [1,0,0,0,0,0|2,1,0]=4 52 B7R0.4 CCCCOC(=S)[S-] D82014 [1,0,0,0,0,0|2,1,0]=4 53 B7R0.4 CCCCOC(C)C D93400 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.4 CCCCOC(N)=O D89279 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.4 CCCCSC(C)=O 79049 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.4 CCC\C=C\C(=O)O C10700 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.4 CCC\C=C\C(C)=O F17581 [1,0,0,0,0,0|0,0,1]=2 58 B7R0.4 CCO\C=C\C(=O)O 30211 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.4 CNCCCC(=O)O 20515 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.4 CNCCCC(=O)O AB7427 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.4 NCCCCC(=O)O 76219 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.4 NCCCCC(=O)O D78140 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 O=C(Cl)CCCCBr H11319 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.4 O=C(Cl)CCCCCl D89459 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.4 O=C(Cl)OCCCCl D89474 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.4 O=C(O)CCCCBr 76255 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 O=C(O)CCCCCl C10667 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.4 O=C([O-])CCCCO F13839 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.5 C=C(Br)C(=O)OCC AB9222 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.5 CCCC(=O)C(C)C D91358 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.5 CCCN(C)C(=O)Cl AC2466 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.5 CCC[C@H](C)C(=O)O D78086 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.5 CCC[C@H](N)C(=O)O 27282 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.5 CCC[C@H](N)C(=O)O 73286 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.5 CCC[C@H](N)C(=O)O D70899 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.5 CCOC(=O)C(=O)O C75898 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.5 CCOC(=O)C(C)=O D72526 [1,0,0,0,0,0|1,0,0]=2 79 B7R0.5 CCOC(=O)C(N)=O C13633 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.5 CCOC(=O)C(N)=S 35744 [1,0,0,0,0,0|2,1,0]=4 81 B7R0.5 CCOC(=O)N(C)C A10839 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.5 CCOC(=O)[C@H](C)F 28664 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.5 CCOC(=O)[C@H](C)I D90599 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.5 CCOC(=O)[C@H](C)N 75100 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.5 CCOC(=O)[C@H](C)O 35087 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.5 CCOC(=O)[C@H](C)S D81899 [1,0,0,0,0,0|1,1,1]=4 91 B7R0.5 CC\C=C(/C)C(=O)O D78175 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.5 CNCC(=O)N(C)C C77998 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.7 C=C(C)C(=O)NC[C@H](C)O D94852 [0,1,0,0,0,0|2,0,0]=3 94 B9R0.7 CC(C)CC[C@H](N)C(=O)O 35603 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.7 CC(C)CC[C@H](N)C(=O)O F11532 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.7 O=C(O)CCC(=O)C(=O)O D70548 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] D91223 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.8 CCCC[C@H](Br)C(=O)OC F20310 [0,1,0,0,0,0|1,0,1]=3 99 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.8 COC(=O)[C@@H](Br)CCCBr O11857 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.8 CON(C)C(=O)CCCCl W16956 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.13 CCCCC(CC)C(=O)[O-] AC8589 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.13 CCCCC(CC)C(=O)[O-] D95682 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.13 CCCCC(CC)C(=O)[O-] H11235 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.13 CCCC[C@H](CC)C(=O)[O-] 58586 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.13 CCCC[C@H](CC)C(=O)[O-] A51068 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.47 C=C(C)C(=O)NCCCN 35820 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.47 C=C(F)C(=O)OCCCC D83944 [0,1,0,0,0,0|1,0,1]=3 114 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [0,1,0,0,0,0|1,0,1]=3 117 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [0,1,0,0,0,0|0,0,2]=3 118 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.51 CCCCC(C)(C)C(=O)O T71346 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.5 CN1CCCCCC1=O F20350 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.5 CN1CCNCCC1=O Y10627 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,0,0,1,0,0|2,0,1]=4 134 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,0,0,1,0,0|2,0,1]=4 137 B9R1.6 CC(=O)C1CCCCC1 P10040 [0,0,0,1,0,0|1,0,1]=3 138 B9R1.6 CC(=O)C1CCNCC1 25527 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.6 CC(=O)C1CCOCC1 53199 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.6 CC(=O)N1CCCCC1 S12042 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.6 CC(=O)N1CCNCC1 75167 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.6 CC(=O)N1CCOCC1 C10101 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [0,0,0,1,0,0|1,0,1]=3 144 B9R1.6 NC(=O)C1CCCCC1 78531 [0,0,0,1,0,0|2,0,1]=4 145 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [0,0,0,1,0,0|2,0,1]=4 146 B9R1.6 O=C(Cl)N1CCCCC1 F14628 [0,0,0,1,0,0|3,0,0]=4 147 B9R1.6 O=C(O)C1=CCCCC1 22410 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.6 O=C(O)C1=CCCCO1 S11489 [0,0,0,1,0,0|1,0,2]=4 149 B9R1.6 O=C(O)C1=COCCC1 70861 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.6 O=C(O)C1CCCCC1 P17799 [0,0,0,1,0,0|2,0,1]=4 151 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,0,0,1,0,0|2,0,1]=4 153 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,0,0,1,0,0|2,0,1]=4 157 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [0,0,0,1,0,0|1,0,2]=4 158 B9R1.23 CN1C[C@@H](CO)CC1=O P17084 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.35 CC(=O)N1CC[C@H](N)C1 30699 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3001 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3002 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3003 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.40 CC1(C)CCCCC1=O 25898 [0,0,0,1,0,0|1,0,1]=3 164 B9R1.40 CC1(C)CNCCC1=O 84109 [0,0,0,1,0,0|2,0,1]=4 165 B9R1.40 CC1(C)CNCCC1=O FD10497 [0,0,0,1,0,0|2,0,1]=4 166 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.69 C[C@H]1CN(C)CCC1=O 68472 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.110 N[C@H](C(=O)O)C1CCC1 67424 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51300 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51301 [0,0,0,1,0,0|2,0,1]=4 171 B9R1.163 NC(=O)C1(N)CCCC1 21133 [0,0,0,1,0,0|2,0,1]=4 172 B9R1.163 NC(=O)C1(N)CCCC1 F10420 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.163 NC1(C(=O)O)CCCC1 FD1031 [0,0,0,1,0,0|2,0,1]=4 174 B9R1.163 O=C(O)C1(O)CCCC1 RB3239 [0,0,0,1,0,0|1,0,2]=4 175 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [0,0,0,0,0,1|2,0,1]=4 176 B6R0.1 C=CC(=O)NCC AB9195 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.1 CCCC(=O)CC D90801 [2,0,0,0,0,0|0,0,1]=3 178 B6R0.1 CCCC(=O)NN O11707 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.1 CCCC(=O)SC D91533 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.1 CCOC(=O)NC D91332 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.1 CCOC(=O)OC A11149 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.1 CNCC(=O)NC 71568 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.1 CNCC(=O)OC 73733 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.1 COC(=O)CCBr AB7483 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.1 COC(=O)CCCl D95821 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.1 COC(=O)CCN S12362 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.1 COC(=O)CCO 29940 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.1 COC(=O)CCS D70327 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.1 COC(=O)CSC D87959 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.4 C=C(C)CNCC D95542 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.4 CC(=O)NCCN D70867 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.4 CC(=O)NCCO FD10637 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.4 CC(=O)NCCS AT13754 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.4 CC(=O)OCCBr C10198 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.4 CC(=O)OCCCl D88201 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.4 CC(=O)OCCO D88371 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.4 CC(C)=CCCBr F19983 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.4 CCCCC(=N)N 31933 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.4 CCCCC(=N)N W16181 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|0,0,1]=3 203 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.4 CCCNC(C)=O D97464 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.4 CCCOC(N)=O F16337 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.4 CCCSC(C)=O D92148 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.4 CC\C=C\C(=O)O D72497 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.4 CC\C=C\C(=O)O P17755 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.4 CO\C=C\C(C)=O D78013 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.4 CO\C=C\C(C)=O F50213 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.4 CSCCC(C)=O D91573 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.4 CSCOC(C)=O D88428 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|1,0,1]=4 221 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.6 CCCC=CC=O D78252 [2,0,0,0,0,0|0,0,1]=3 224 B6R0.6 CCCCCNC D91584 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.6 O=CCCCCCl C10094 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.6 O=CCCCCO F19841 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.3 CC(=O)C(=O)CBr 23277 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.3 CCC(=O)C(=O)O O10846 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 CCC(=O)N(C)C A10841 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.3 CCC(=O)[C@H](C)Br T71350 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.3 CNC(=O)C(=O)O W11373 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.3 COC(=O)C(=O)Cl 28805 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.3 COC(=O)C(=O)[O-] S12240 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.3 O=C(O)C(=O)CBr 21724 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.1 CCOC(=O)CCCBr F11167 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.1 CCOC(=O)CCCI 74907 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.1 CCOC(=O)CCCN 20516 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.1 CCOC(=O)CCNC 30981 [1,1,0,0,0,0|1,0,1]=4 240 B8R0.1 CCOC(=O)CCOC D91424 [1,1,0,0,0,0|1,0,1]=4 241 B8R0.1 CCOC(=O)CCSC D90571 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.1 CCOCC(=O)OCC D81905 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [1,1,0,0,0,0|1,0,0]=3 244 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [1,1,0,0,0,0|1,0,0]=3 246 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [1,1,0,0,0,0|2,0,0]=4 247 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [1,1,0,0,0,0|2,0,0]=4 248 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [1,1,0,0,0,0|2,0,0]=4 249 B8R0.6 C#CCCCC(=O)OC C90747 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.6 C=CC(=O)CCCCC D71008 [1,1,0,0,0,0|0,0,1]=3 251 B8R0.6 C=CC(=O)NCCCC D82024 [1,1,0,0,0,0|0,0,1]=3 252 B8R0.6 C=CCCCC(=O)OC H11902 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.6 CCCCNC(=O)CC D88679 [1,1,0,0,0,0|0,0,1]=3 254 B8R0.6 CCCCNC(=O)CCl 23765 [1,1,0,0,0,0|1,0,1]=4 255 B8R0.6 CCCCOC(=O)CN F52077 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.6 CCCCOC(=O)CO D70201 [1,1,0,0,0,0|0,0,2]=4 257 B8R0.6 CCC\C=C\C(=O)OC 28979 [1,1,0,0,0,0|1,0,1]=4 258 B8R0.6 CCC\C=C\C(=O)OC AC7684 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.6 CCNCCC(=O)OC 31591 [1,1,0,0,0,0|1,0,0]=3 260 B8R0.6 CC\C=C\CC(=O)OC D93382 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.6 CNCCCC(=O)OC AB9747 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.6 COC(=O)CCCC#N 32622 [1,1,0,0,0,0|1,0,1]=4 263 B8R0.6 COC(=O)CCCCBr 76669 [1,1,0,0,0,0|1,0,0]=3 264 B8R0.6 COC(=O)CCCCCl D75917 [1,1,0,0,0,0|1,0,0]=3 265 B8R0.6 COC(=O)CCCCN 76218 [1,1,0,0,0,0|1,0,0]=3 266 B8R0.6 COC(=O)COCCCl 39408 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.6 COCCCC(=O)OC F14920 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,1,0,0,0,0|1,0,1]=4 269 B8R0.9 COC(=O)CCC(C)=O H11992 [1,1,0,0,0,0|1,0,1]=4 270 B8R0.9 COC(=O)CCN(C)C 32618 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.19 CCC(=O)CC(=O)CC O11824 [1,1,0,0,0,0|0,0,2]=4 272 B8R0.19 CCC(=O)CC(=O)OC AC7866 [1,1,0,0,0,0|1,0,1]=4 273 B8R0.7 CC(=O)OCCCCBr F16811 [1,1,0,0,0,0|1,0,0]=3 274 B8R0.7 CC(=O)OCCCCCl H10679 [1,1,0,0,0,0|1,0,0]=3 275 B8R0.7 CCCCCCC(=O)Cl A10863 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.7 CCCCCCC(=O)[O-] D90422 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.7 CCCCCCC(N)=O D93021 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.7 CCCCCOC(=O)Cl D89273 [1,1,0,0,0,0|1,0,1]=4 279 B8R0.7 CCCCOCC(=O)O AC1559 [1,1,0,0,0,0|1,0,1]=4 280 B8R0.7 CCCC\C=C\C(=O)O D90864 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.7 CSCCCOC(C)=O D91595 [1,1,0,0,0,0|1,0,0]=3 282 B8R0.7 NC(=O)CCCCCBr 74914 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.7 O=C(Cl)CCCCCBr D88888 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.7 O=C(O)CCCCCBr F11242 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.7 O=C(O)CCCCCCl D77823 [1,1,0,0,0,0|1,0,1]=4 286 B8R0.7 O=C(O)CCCCCO S10488 [1,1,0,0,0,0|1,0,1]=4 287 B8R0.7 O=C([O-])CCCCCO Y10610 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.21 CCCCOS(C)(=O)=O A10593 [1,1,0,0,0,0|2,0,0]=4 289 B8R0.28 CC(=O)CCC=C(C)C D77716 [1,1,0,0,0,0|1,0,1]=4 290 B8R0.28 CC(=O)CCCC(C)C D81757 [1,1,0,0,0,0|0,0,1]=3 291 B8R0.28 CC(=O)CCOC(C)=O D84229 [1,1,0,0,0,0|1,0,1]=4 292 B8R0.28 CC(=O)OCCN(C)C D88355 [1,1,0,0,0,0|2,0,0]=4 293 B8R0.2 CCC(C)C(=O)C(=O)[O-] H10988 [1,1,0,0,0,0|1,0,0]=3 294 B8R0.2 CC[C@H](C)C(=O)C(=O)O F16679 [1,1,0,0,0,0|1,0,0]=3 295 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] D97764 [1,1,0,0,0,0|1,0,0]=3 296 B8R0.23 C=C(C)C(=O)NC(C)C A11002 [1,1,0,0,0,0|2,0,0]=4 297 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [1,1,0,0,0,0|0,0,0]=2 298 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [1,1,0,0,0,0|1,0,0]=3 299 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [1,1,0,0,0,0|1,0,0]=3 300 B8R0.23 CC(C)NC(=O)C(=O)O AC5819 [1,1,0,0,0,0|2,0,0]=4 301 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,1,0,0,0,1|1,0,1]=4 302 B10R0.6 CCCOCC(=O)OC(C)C D81295 [0,1,0,0,0,1|1,0,1]=4 303 B10R0.6 COCCOC(=O)CC(C)=O 43944 [0,1,0,0,0,1|1,0,0]=3 304 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [0,1,0,0,0,1|0,0,0]=2 305 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [0,1,0,0,0,1|1,0,0]=3 306 B10R0.32 CCOC(=O)C(=O)CC(C)=O F10311 [0,1,0,0,0,1|1,0,1]=4 307 B10R0.96 CC(=O)CC(=O)OCC(C)C D88331 [0,1,0,0,0,1|1,0,0]=3 308 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [0,2,0,0,0,0|0,0,0]=2 309 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [0,2,0,0,0,0|1,0,1]=4 310 B10R0.46 COC(=O)CC(=O)C(=O)OC D97368 [0,2,0,0,0,0|1,0,1]=4 311 B10R0.83 C=C(C#N)C(=O)OCCCC 43044 [0,2,0,0,0,0|1,0,1]=4 312 B10R0.83 CCCCOC(=O)[C@@H](C)CC D95649 [0,2,0,0,0,0|1,0,1]=4 313 B10R0.83 COC(=O)[C@@H](N)CCCCN F10815 [0,2,0,0,0,0|1,0,1]=4 314 B10R0.83 COC(=O)[C@@H](N)CCCCN F10989 [0,2,0,0,0,0|1,0,1]=4 315 B10R0.85 CCCC[C@H](CC)C(=O)OC D93232 [0,2,0,0,0,0|1,0,1]=4 316 B10R0.75 O=C(O)C(=O)CCCCCCl D93207 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.2 O=CC1=CCCOC1 35550 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.2 O=CC1=COCCC1 A12341 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.2 O=CC1CCCCC1 39466 [1,0,0,1,0,0|1,0,1]=4 321 B8R1.3 CC1CCC(=O)CC1 P20542 [1,0,0,1,0,0|0,0,1]=3 322 B8R1.3 CN1CCC(=O)CC1 67677 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.3 NC1CCC(=O)CC1 24439 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.3 O=C1CCC(O)CC1 24546 [1,0,0,1,0,0|1,0,1]=4 326 B8R1.3 O=C1CC[C@H](O)CN1 62216 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.3 O=C1CC[C@H](O)CN1 62217 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.5 CN1CCCNC1=O F13277 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.5 CN1CCNCC1=O 26900 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.5 CN1CCNCC1=O 37505 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.5 C[C@H]1CCCNC1=O P10093 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.5 C[C@H]1CNCCC1=O 63757 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.5 C[C@H]1CNCCC1=O 67436 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.5 O=C1CCCCC1=O 57324 [1,0,0,1,0,0|0,0,0]=2 335 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.5 O=C1CCCC[C@@H]1F W17462 [1,0,0,1,0,0|1,0,1]=4 338 B8R1.22 O=C1C=CCCCC1 S10329 [1,0,0,1,0,0|0,0,1]=3 339 B8R1.22 O=C1CCCCCN1 D70254 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.22 O=C1CCCCCO1 D70255 [1,0,0,1,0,0|1,0,0]=3 341 B8R1.22 O=C1CCCNCC1 VT1100 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.22 O=C1CCNCCN1 23498 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.22 O=C1CCOCCN1 F13212 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.22 O=C1CCSCCN1 W16383 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.22 O=C1CNCCCN1 71619 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.22 O=C1CNCCCN1 86465 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.38 COC(=O)C1CCC1 TD1247 [1,0,0,1,0,0|1,0,0]=3 348 B8R1.38 COC(=O)C1CNC1 27444 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.38 NNC(=O)C1CCC1 P10255 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.38 O=C(CBr)C1CCC1 P18349 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.50 CC1=C(O)C(=O)CC1 O10798 [1,0,0,1,0,0|0,0,2]=4 354 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [1,0,0,1,0,0|1,0,0]=3 356 B8R1.50 C[C@H]1CCN(C)C1=O F18318 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|1,0,1]=4 358 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|1,0,1]=4 361 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|0,0,1]=3 362 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|1,0,1]=4 363 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|1,0,1]=4 364 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.7 CC(=O)C1=NCCS1 50518 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,1,0,0|0,0,1]=3 369 B8R1.7 CC(=O)N1CCCC1 A12496 [1,0,0,1,0,0|1,0,0]=3 370 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,1,0,0|1,0,1]=4 371 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,1,0,0|1,0,1]=4 372 B8R1.7 O=C(O)C1=CCCC1 C10074 [1,0,0,1,0,0|1,0,1]=4 373 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|1,0,1]=4 374 B8R1.34 CC(=O)NC1CNC1 38121 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.34 O=C(O)C=C1CCC1 37801 [1,0,0,1,0,0|1,0,1]=4 376 B8R1.34 O=C(O)CC1CCC1 AB3606 [1,0,0,1,0,0|1,0,1]=4 377 B8R1.35 O=C(O)CCC1CC1 68386 [1,0,0,1,0,0|1,0,1]=4 378 B8R1.35 O=C(O)\C=C\C1CC1 P15370 [1,0,0,1,0,0|1,0,1]=4 379 B8R1.54 O=C(O)C(=O)C1CC1 36361 [1,0,0,1,0,0|1,0,0]=3 380 B10R1.18 O=C(O)C=C1CCCCC1 A51178 [0,0,0,1,0,1|2,0,0]=4 381 B10R1.18 O=C(O)CC1=CCCCC1 D70526 [0,0,0,1,0,1|2,0,0]=4 382 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [0,0,0,1,0,1|0,0,0]=2 383 B10R1.61 O=C(O)C1=C(Br)CCCC1 D86632 [0,0,0,1,0,1|2,0,0]=4 384 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P10053 [0,1,0,1,0,0|2,0,0]=4 385 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 P11233 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.34 CC[C@@H]1OC(=O)C(O)=C1C D78258 [0,1,0,1,0,0|1,0,1]=4 387 B10R1.275 CN1CCCC[C@H](N)C1=O 11067 [0,1,0,1,0,0|1,0,1]=4 388 B10R1.301 C[C@H]1CCCC(C)(C)C1=O A10861 [0,1,0,1,0,0|1,0,1]=4 389 B10R1.13 CC(=O)N1CCC(Br)CC1 72176 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.13 CC(=O)N1CCC(N)CC1 35114 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.13 CC(=O)N1CCC(N)CC1 50546 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.13 CC(=O)N1CCC(O)CC1 AB7343 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.15 COC(=O)C1=CCCCC1 O11977 [0,1,0,1,0,0|1,0,0]=3 394 B10R1.15 COC(=O)C1=CCOCC1 39206 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.15 COC(=O)C1=COCCC1 F52671 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.15 COC(=O)C1CCCCC1 D77686 [0,1,0,1,0,0|1,0,1]=4 397 B10R1.15 COC(=O)[C@@H]1CCCCN1 26190 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.15 COC(=O)[C@@H]1CCCCN1 33254 [0,1,0,1,0,0|1,0,1]=4 399 B10R1.15 COC(=O)[C@@H]1CCCCN1 68797 [0,1,0,1,0,0|1,0,1]=4 400 B10R1.15 COC(=O)[C@@H]1CCCCN1 C10695 [0,1,0,1,0,0|1,0,1]=4 401 B10R1.15 COC(=O)[C@@H]1CCCCO1 31348 [0,1,0,1,0,0|0,0,2]=4 402 B10R1.15 O=C(CBr)C1CCCCC1 26392 [0,1,0,1,0,0|1,0,1]=4 403 B10R1.15 O=C(CCl)N1CCCCC1 H10613 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.29 CCCCN1CCCC1=O 56158 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.184 COC(=O)[C@@H](N)CC1CC1 D80594 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.184 CON(C)C(=O)CC1CC1 91959 [0,1,0,1,0,0|1,0,1]=4 407 B10R1.411 COC(=O)C1(N)CCCC1 36697 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.411 COC(=O)C1(N)CCCC1 64390 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.348 CC(=O)N1CCCNCC1 50432 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.113 CC(=O)N1CCC[C@H](N)C1 30730 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.363 CC(=O)C1(O)CCCCC1 20528 [0,1,0,1,0,0|0,0,2]=4 412 B10R2.485 O=C(CC1CC1)C2CC2 P15895 [0,0,0,2,0,0|1,0,1]=4 413 B10R0.78 CCCCC(=O)OCC(C)C D95777 [0,0,0,0,0,2|1,0,1]=4 414 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [0,0,0,0,0,2|1,0,0]=3